CID 332485

2-(aminothio)-3-quinolinecarbonitrile

Structural Information

Molecular Formula
C10H7N3S
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)SN)C#N
InChI
InChI=1S/C10H7N3S/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)14-12/h1-5H,12H2
InChIKey
ZONGDUDXLAFXHI-UHFFFAOYSA-N
Compound name
2-aminosulfanylquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.03607 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04335 145.7
[M+Na]+ 224.02529 157.7
[M-H]- 200.02879 148.6
[M+NH4]+ 219.06989 163.1
[M+K]+ 239.99923 152.1
[M+H-H2O]+ 184.03333 133.0
[M+HCOO]- 246.03427 160.3
[M+CH3COO]- 260.04992 157.2
[M+Na-2H]- 222.01074 150.9
[M]+ 201.03552 141.4
[M]- 201.03662 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.